N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide

C19H21ClN2O2 — CID 24543962

IUPACN-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)c2ccccc2Cl)cc1C
InChIInChI=1S/C19H21ClN2O2/c1-12-8-9-15(10-13(12)2)19(24)21-11-18(23)22-14(3)16-6-4-5-7-17(16)20/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyZWPXOJWBEFDTND-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.56
Rot. Bonds5

About N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 24543962) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID24543962
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NC(C)c2ccccc2Cl)cc1C
InChIInChI=1S/C19H21ClN2O2/c1-12-8-9-15(10-13(12)2)19(24)21-11-18(23)22-14(3)16-6-4-5-7-17(16)20/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyZWPXOJWBEFDTND-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9164747
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24638629
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26004667
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 41176984
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 24543962) is N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)NC(C)c2ccccc2Cl)cc1C.
What is the InChIKey of N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is ZWPXOJWBEFDTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-8-9-15(10-13(12)2)19(24)21-11-18(23)22-14(3)16-6-4-5-7-17(16)20/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 24543962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).